4-N-methyl-4-N-(2-methylpropyl)-6-N-piperidin-4-ylpyrimidine-4,6-diamine

C14H25N5 — CID 115264218

IUPAC4-N-methyl-4-N-(2-methylpropyl)-6-N-piperidin-4-ylpyrimidine-4,6-diamine
SMILESCC(C)CN(C)c1cc(NC2CCNCC2)ncn1
InChIInChI=1S/C14H25N5/c1-11(2)9-19(3)14-8-13(16-10-17-14)18-12-4-6-15-7-5-12/h8,10-12,15H,4-7,9H2,1-3H3,(H,16,17,18)
InChIKeyPFBPNKSDSPZBOT-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.73
Rot. Bonds5

About 4-N-methyl-4-N-(2-methylpropyl)-6-N-piperidin-4-ylpyrimidine-4,6-diamine

4-N-methyl-4-N-(2-methylpropyl)-6-N-piperidin-4-ylpyrimidine-4,6-diamine (PubChem CID 115264218) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 4-N-methyl-4-N-(2-methylpropyl)-6-N-piperidin-4-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(2-methylpropyl)-6-N-piperidin-4-ylpyrimidine-4,6-diamine
PubChem CID115264218
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name4-N-methyl-4-N-(2-methylpropyl)-6-N-piperidin-4-ylpyrimidine-4,6-diamine
SMILESCC(C)CN(C)c1cc(NC2CCNCC2)ncn1
InChIInChI=1S/C14H25N5/c1-11(2)9-19(3)14-8-13(16-10-17-14)18-12-4-6-15-7-5-12/h8,10-12,15H,4-7,9H2,1-3H3,(H,16,17,18)
InChIKeyPFBPNKSDSPZBOT-UHFFFAOYSA-N
XLogP1.73
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-methyl-6-N-piperidin-4-yl-4-N-propylpyrimidine-4,6-diamine
CID 115264217
6-N-cyclopentyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281906
6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
CID 66319414
6-(2,2-dimethylpropyl)-N-piperidin-4-ylpyrimidin-4-amine
CID 126848327
6-N-cyclopropyl-4-N-methyl-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine
CID 96555845
6-N-(2-methoxyethyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine
CID 94672485
N-(6-propylpyrimidin-4-yl)azepan-4-amine
CID 107173664
6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 115264180
4-N-cyclohexyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112856250
2-[4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]acetic acid
CID 135109087
4-N-benzyl-6-N-cyclopentyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112855887
6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 66319236

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(2-methylpropyl)-6-N-piperidin-4-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-(2-methylpropyl)-6-N-piperidin-4-ylpyrimidine-4,6-diamine (CID 115264218) is 4-N-methyl-4-N-(2-methylpropyl)-6-N-piperidin-4-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(2-methylpropyl)-6-N-piperidin-4-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-(2-methylpropyl)-6-N-piperidin-4-ylpyrimidine-4,6-diamine is CC(C)CN(C)c1cc(NC2CCNCC2)ncn1.
What is the InChIKey of 4-N-methyl-4-N-(2-methylpropyl)-6-N-piperidin-4-ylpyrimidine-4,6-diamine?
The InChIKey is PFBPNKSDSPZBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-11(2)9-19(3)14-8-13(16-10-17-14)18-12-4-6-15-7-5-12/h8,10-12,15H,4-7,9H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N-methyl-4-N-(2-methylpropyl)-6-N-piperidin-4-ylpyrimidine-4,6-diamine?
4-N-methyl-4-N-(2-methylpropyl)-6-N-piperidin-4-ylpyrimidine-4,6-diamine has a molecular weight of 263.39 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(2-methylpropyl)-6-N-piperidin-4-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 115264218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).